HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4135",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4133",
"results": [
{
"id": "jvasp-21529",
"created_at": "2022-09-04T14:35:40.982895Z",
"updated_at": "2022-09-04T14:35:40.982921Z",
"structure_string": "Mg6 B4 O12\n1.0\n4.530278 0.000000 0.000000\n0.000000 5.418218 0.000000\n0.000000 0.000000 8.457302\nMg B O\n6 4 12\ndirect\n0.000000 0.500000 0.813214 Mg\n0.500000 0.000000 0.686786 Mg\n0.000000 0.500000 0.186786 Mg\n0.500000 0.000000 0.313214 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.045632 0.243948 0.500000 B\n0.454368 0.743948 0.000000 B\n0.954368 0.756052 0.500000 B\n0.545632 0.256052 0.000000 B\n0.749438 0.679044 0.000000 O\n0.249438 0.820956 0.500000 O\n0.750562 0.179044 0.500000 O\n0.250562 0.320956 0.000000 O\n0.201547 0.295542 0.639072 O\n0.298453 0.795542 0.139072 O\n0.701547 0.204458 0.860928 O\n0.298453 0.795542 0.860928 O\n0.798453 0.704458 0.360928 O\n0.701547 0.204458 0.139072 O\n0.798453 0.704458 0.639072 O\n0.201547 0.295542 0.360928 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-O",
"density": 3.0481549733805364,
"density_atomic": 0.10597648572779761,
"volume": 207.59322078774503,
"volume_molar": 5.682525438207084,
"formula_full": "Mg6 B4 O12",
"formula_reduced": "Mg3(BO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.031876665151515,
"spacegroup": 58
},
{
"id": "jvasp-42244",
"created_at": "2022-09-04T14:36:01.090106Z",
"updated_at": "2022-09-04T14:36:01.090127Z",
"structure_string": "Na12 Fe2 O8\n1.0\n7.507571 0.000334 -0.000117\n0.000334 7.507708 0.000041\n-0.000077 0.000034 5.318117\nNa Fe O\n12 2 8\ndirect\n0.043109 0.543113 0.750007 Na\n0.956907 0.456902 0.249993 Na\n0.750006 0.750012 0.859017 Na\n0.750010 0.749999 0.359012 Na\n0.543094 0.456919 0.249999 Na\n0.543109 0.043117 0.250016 Na\n0.956918 0.043107 0.250010 Na\n0.456921 0.543096 0.750001 Na\n0.250009 0.250003 0.140982 Na\n0.250005 0.250016 0.640988 Na\n0.043097 0.956908 0.749989 Na\n0.456907 0.956899 0.749983 Na\n0.250004 0.750004 0.249986 Fe\n0.750011 0.250011 0.750013 Fe\n0.750009 0.497419 0.591253 O\n0.997429 0.250010 0.908734 O\n0.250008 0.997434 0.408726 O\n0.250006 0.502596 0.408742 O\n0.502591 0.250009 0.908741 O\n0.497425 0.750007 0.091263 O\n0.750008 0.002582 0.591269 O\n0.002586 0.750005 0.091271 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 2.856048990315613,
"density_atomic": 0.07339356321010704,
"volume": 299.7538072517288,
"volume_molar": 8.20527100279918,
"formula_full": "Na12 Fe2 O8",
"formula_reduced": "Na6FeO4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.8484494090909092,
"spacegroup": 137
},
{
"id": "jvasp-5491",
"created_at": "2022-09-04T14:35:54.379163Z",
"updated_at": "2022-09-04T14:35:54.379179Z",
"structure_string": "V4 Se18\n1.0\n8.175157 -0.044490 -0.492723\n-0.570495 8.076229 -1.318988\n-0.040718 -0.030108 8.202932\nV Se\n4 18\ndirect\n0.083841 0.135975 0.601158 V\n0.416159 0.398842 0.864025 V\n0.916159 0.864025 0.398842 V\n0.583841 0.601158 0.135975 V\n0.458537 0.707812 0.406900 Se\n0.041463 0.593100 0.292188 Se\n0.823348 0.993446 0.678604 Se\n0.676651 0.321395 0.006554 Se\n0.176651 0.006553 0.321395 Se\n0.323348 0.678604 0.993446 Se\n0.057043 0.846585 0.679759 Se\n0.442957 0.320240 0.153415 Se\n0.557043 0.679760 0.846585 Se\n0.250000 0.414642 0.585357 Se\n0.112896 0.290803 0.912137 Se\n0.387103 0.087863 0.709197 Se\n0.887103 0.709197 0.087863 Se\n0.612896 0.912137 0.290803 Se\n0.958537 0.406900 0.707812 Se\n0.541463 0.292188 0.593100 Se\n0.942957 0.153414 0.320240 Se\n0.750000 0.585357 0.414643 Se\n",
"nsites": 22,
"nelements": 2,
"elements": [
"V",
"Se"
],
"chemical_system": "Se-V",
"density": 4.988927648240748,
"density_atomic": 0.04067383570003376,
"volume": 540.8882546079061,
"volume_molar": 14.805932748543313,
"formula_full": "V4 Se18",
"formula_reduced": "V2Se9",
"formula_anonymous": "A2B9",
"energy_above_hull": 2.3005462454545453,
"spacegroup": 15
},
{
"id": "jvasp-97506",
"created_at": "2022-09-04T14:35:56.655304Z",
"updated_at": "2022-09-04T14:35:56.655321Z",
"structure_string": "Ba2 H8 O12\n1.0\n3.822994 4.784301 -0.446448\n-3.822994 4.784301 0.446448\n-0.029141 0.000000 6.489607\nBa H O\n2 8 12\ndirect\n0.810674 0.810674 0.750000 Ba\n0.172421 0.172421 0.250000 Ba\n0.405640 0.434562 -0.049734 H\n0.349090 0.664592 0.042500 H\n0.434562 0.405640 0.549734 H\n0.664592 0.349090 0.457500 H\n0.023890 0.328484 0.694245 H\n0.328484 0.023890 0.805756 H\n0.952326 0.664013 0.292067 H\n0.664013 0.952326 0.207933 H\n0.431583 0.079574 0.911117 O\n0.079574 0.431583 0.588884 O\n0.389868 0.778502 0.560366 O\n0.778502 0.389868 0.939635 O\n0.534175 0.284033 0.490371 O\n0.974034 0.806933 0.202830 O\n0.212398 0.912094 0.635928 O\n0.912094 0.212398 0.864073 O\n0.806933 0.974033 0.297170 O\n0.881007 0.494947 0.430072 O\n0.284033 0.534175 0.009629 O\n0.494947 0.881007 0.069928 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 3.3222710737677925,
"density_atomic": 0.09272139885908548,
"volume": 237.26993197584065,
"volume_molar": 6.494876947609715,
"formula_full": "Ba2 H8 O12",
"formula_reduced": "Ba(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.6016006336363637,
"spacegroup": 5
},
{
"id": "jvasp-48716",
"created_at": "2022-09-04T14:35:53.042754Z",
"updated_at": "2022-09-04T14:35:53.042774Z",
"structure_string": "Mn2 P2 H4 C2 O12\n1.0\n5.990732 0.000000 -0.010361\n-2.995366 7.488367 0.005180\n-2.069203 0.000000 5.146931\nMn P H C O\n2 2 4 2 12\ndirect\n0.194318 0.388638 0.500000 Mn\n0.805681 0.611363 0.500000 Mn\n0.330296 0.660591 0.000000 P\n0.669704 0.339409 0.000000 P\n0.179182 0.811351 0.180229 H\n0.632167 0.811351 0.819771 H\n0.367832 0.188650 0.180229 H\n0.820818 0.188650 0.819771 H\n0.102520 -0.000000 0.447799 C\n0.897480 -0.000000 0.552201 C\n0.816585 0.216260 -0.009773 O\n0.399674 0.216260 0.009773 O\n0.611226 0.448580 0.749840 O\n0.745973 0.849155 0.590062 O\n0.254027 0.150845 0.409937 O\n0.103181 0.849155 0.409937 O\n0.600326 0.783741 -0.009773 O\n0.183414 0.783741 0.009773 O\n0.162648 0.551420 0.749840 O\n0.837352 0.448580 0.250160 O\n0.388773 0.551420 0.250160 O\n0.896818 0.150845 0.590062 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Mn",
"P",
"H",
"C",
"O"
],
"chemical_system": "C-H-Mn-O-P",
"density": 2.820183431781415,
"density_atomic": 0.09534751866795538,
"volume": 230.7348980586929,
"volume_molar": 6.315991065244089,
"formula_full": "Mn2 P2 H4 C2 O12",
"formula_reduced": "MnPH2CO6",
"formula_anonymous": "ABCD2E6",
"energy_above_hull": 3.472329431034483,
"spacegroup": 12
},
{
"id": "jvasp-63583",
"created_at": "2022-09-04T14:36:05.466509Z",
"updated_at": "2022-09-04T14:36:05.466538Z",
"structure_string": "Sr2 Cu4 B4 O12\n1.0\n-4.551054 4.551054 3.314955\n4.551054 -4.551054 3.314955\n4.551054 4.551054 -3.314955\nSr Cu B O\n2 4 4 12\ndirect\n0.749999 0.749999 0.000000 Sr\n0.250000 0.250000 0.000000 Sr\n0.614050 0.885948 0.500000 Cu\n0.385949 0.114051 0.500000 Cu\n0.885948 0.385949 0.271897 Cu\n0.114051 0.614050 0.728102 Cu\n0.703973 0.203973 0.907946 B\n0.203973 0.296026 0.500000 B\n0.296026 0.796026 0.092053 B\n0.796026 0.703973 0.500000 B\n0.598030 0.098031 0.696061 O\n0.401969 0.901968 0.303938 O\n0.901968 0.598030 0.500000 O\n0.672006 0.353214 0.025221 O\n0.327993 0.646785 0.974779 O\n0.353214 0.327993 0.681207 O\n0.646785 0.672006 0.318792 O\n0.827992 0.853214 0.681207 O\n0.172007 0.146785 0.318792 O\n0.146785 0.827992 0.974779 O\n0.853214 0.172007 0.025221 O\n0.098031 0.401969 0.500000 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"B",
"O"
],
"chemical_system": "B-Cu-O-Sr",
"density": 4.018718235596185,
"density_atomic": 0.08010526749190795,
"volume": 274.6386185180942,
"volume_molar": 7.517783722035935,
"formula_full": "Sr2 Cu4 B4 O12",
"formula_reduced": "SrCu2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.2343248524242423,
"spacegroup": 140
},
{
"id": "jvasp-88488",
"created_at": "2022-09-04T14:36:04.791377Z",
"updated_at": "2022-09-04T14:36:04.791394Z",
"structure_string": "K2 V4 Cr2 O14\n1.0\n4.849462 0.000000 0.000000\n0.000000 6.765468 -1.375368\n0.000000 -0.016035 8.118572\nK V Cr O\n2 4 2 14\ndirect\n0.603843 0.750000 0.500000 K\n0.396156 0.250000 0.500000 K\n0.998314 0.877460 0.176700 V\n0.001685 0.122539 0.823299 V\n0.001685 0.377460 0.176701 V\n0.998314 0.622539 0.823299 V\n0.500000 0.500000 -0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.326916 0.016249 0.788358 O\n0.673083 0.516249 0.788358 O\n0.290503 0.750000 -0.000000 O\n0.709496 0.250000 -0.000000 O\n0.838908 0.613988 0.115740 O\n0.161091 0.113988 0.115740 O\n0.838908 0.886012 0.884259 O\n0.132561 0.881412 0.361691 O\n0.867438 0.381411 0.361691 O\n0.132561 0.618588 0.638309 O\n0.867438 0.118588 0.638309 O\n0.673083 0.983750 0.211642 O\n0.326916 0.483750 0.211642 O\n0.161091 0.386012 0.884259 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-K-O-V",
"density": 3.804031746429514,
"density_atomic": 0.08262777222544868,
"volume": 266.254304182053,
"volume_molar": 7.288276807909907,
"formula_full": "K2 V4 Cr2 O14",
"formula_reduced": "KV2CrO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 3.019404390909091,
"spacegroup": 13
},
{
"id": "jvasp-91262",
"created_at": "2022-09-04T14:35:53.730151Z",
"updated_at": "2022-09-04T14:35:53.730175Z",
"structure_string": "K4 W4 O14\n1.0\n3.899232 0.002712 0.000000\n-0.037211 6.075912 0.000000\n0.000000 0.000000 13.691078\nK W O\n4 4 14\ndirect\n0.009146 0.330117 0.331231 K\n0.990852 0.169884 0.831230 K\n0.990853 0.669883 0.668769 K\n0.009147 0.830116 0.168770 K\n0.461329 0.716503 0.932685 W\n0.538671 0.283497 0.067315 W\n0.461328 0.216503 0.567314 W\n0.538672 0.783496 0.432686 W\n0.010097 0.275842 0.055912 O\n0.010095 0.775842 0.444089 O\n0.989903 0.724157 0.944088 O\n0.496112 0.812613 0.809622 O\n0.500001 0.500000 0.500000 O\n0.502846 0.088716 0.416938 O\n0.497154 0.411282 0.916937 O\n0.497154 0.911281 0.583062 O\n0.502846 0.588718 0.083063 O\n0.496112 0.312613 0.690379 O\n0.503887 0.187387 0.190378 O\n0.503887 0.687386 0.309621 O\n0.500001 0.000001 0.000000 O\n0.989905 0.224158 0.555911 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"W",
"O"
],
"chemical_system": "K-O-W",
"density": 5.711943765569201,
"density_atomic": 0.06782544237622147,
"volume": 324.36205691026726,
"volume_molar": 8.878881654167092,
"formula_full": "K4 W4 O14",
"formula_reduced": "K2W2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.1792927727272726,
"spacegroup": 14
},
{
"id": "jvasp-48407",
"created_at": "2022-09-04T14:35:57.118167Z",
"updated_at": "2022-09-04T14:35:57.118192Z",
"structure_string": "Na12 Ni2 O8\n1.0\n5.349507 0.000018 -0.000043\n0.000014 7.447268 0.003940\n-0.000229 -0.003855 7.447121\nNa Ni O\n12 2 8\ndirect\n0.249993 0.539447 0.039451 Na\n0.750000 0.460735 0.960740 Na\n0.151084 0.750009 0.750011 Na\n0.651091 0.750008 0.750010 Na\n0.749996 0.460569 0.539446 Na\n0.749996 0.039279 0.539277 Na\n0.749997 0.039453 0.960569 Na\n0.249998 0.539274 0.460737 Na\n0.848919 0.250008 0.250006 Na\n0.348896 0.250009 0.250007 Na\n0.249992 0.960739 0.039281 Na\n0.249994 0.960574 0.460565 Na\n0.750009 0.750009 0.250006 Ni\n0.250008 0.250008 0.750010 Ni\n0.419247 0.497375 0.750093 O\n0.080761 0.250094 0.997384 O\n0.580752 0.997382 0.249928 O\n0.580753 0.502636 0.250087 O\n0.080760 0.249922 0.502636 O\n0.919251 0.749930 0.497374 O\n0.419246 0.002642 0.749925 O\n0.919250 0.750089 0.002639 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Ni",
"O"
],
"chemical_system": "Na-Ni-O",
"density": 2.9174510948584444,
"density_atomic": 0.07415209213762736,
"volume": 296.6875156963566,
"volume_molar": 8.121336278446222,
"formula_full": "Na12 Ni2 O8",
"formula_reduced": "Na6NiO4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.5943245818181818,
"spacegroup": 137
},
{
"id": "jvasp-42632",
"created_at": "2022-09-04T14:36:08.132311Z",
"updated_at": "2022-09-04T14:36:08.132339Z",
"structure_string": "Li4 Mn2 Si4 O12\n1.0\n4.994036 -0.069242 1.242615\n-0.159591 4.991766 1.243239\n0.110420 0.111259 10.318664\nLi Mn Si O\n4 2 4 12\ndirect\n0.931596 0.365898 0.166333 Li\n0.847549 0.781506 0.334823 Li\n0.217254 0.151209 0.666129 Li\n0.632863 0.067171 0.834617 Li\n0.788697 0.210063 0.500474 Mn\n0.038353 -0.039589 0.000472 Mn\n0.449527 0.027848 0.166055 Si\n0.365038 0.443816 0.334893 Si\n0.554937 0.633725 0.666063 Si\n-0.029095 0.549235 0.834901 Si\n0.242478 0.727627 0.721969 O\n0.714116 0.699233 0.779134 O\n0.553385 0.313333 0.672779 O\n0.690733 0.826714 0.514274 O\n0.172043 0.308033 0.486682 O\n0.408491 0.043328 0.014039 O\n0.299529 0.284634 0.221825 O\n0.271136 0.756276 0.278988 O\n0.763110 0.022830 0.173018 O\n-0.024075 0.235653 0.827936 O\n0.685429 0.445377 0.328176 O\n0.955417 0.590268 -0.013082 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.8700759849210344,
"density_atomic": 0.08603385471500155,
"volume": 255.7132895286151,
"volume_molar": 6.999733744290701,
"formula_full": "Li4 Mn2 Si4 O12",
"formula_reduced": "Li2Mn(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.6689132219435736,
"spacegroup": 43
},
{
"id": "jvasp-49846",
"created_at": "2022-09-04T14:36:04.525456Z",
"updated_at": "2022-09-04T14:36:04.525478Z",
"structure_string": "Tb6 Ta2 O14\n1.0\n5.321671 3.673437 -0.000000\n-5.321671 3.673437 -0.000000\n0.000000 0.000000 7.521052\nTb Ta O\n6 2 14\ndirect\n0.062024 0.518823 0.250000 Tb\n0.481178 0.937977 0.750000 Tb\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.518823 0.062024 0.250000 Tb\n0.937977 0.481178 0.750000 Tb\n0.500000 0.500000 0.000000 Ta\n0.500000 0.500000 0.500000 Ta\n0.436775 0.178386 0.963012 O\n0.821615 0.563226 0.463012 O\n0.436775 0.178386 0.536988 O\n0.821615 0.563226 0.036988 O\n0.419051 0.419051 0.250000 O\n0.580950 0.580950 0.750000 O\n0.563226 0.821615 0.036988 O\n0.178386 0.436775 0.963012 O\n0.563226 0.821615 0.463012 O\n0.845706 0.109781 0.750000 O\n0.109781 0.845706 0.750000 O\n0.154295 0.890220 0.250000 O\n0.178386 0.436775 0.536988 O\n0.890220 0.154295 0.250000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"Ta",
"O"
],
"chemical_system": "O-Ta-Tb",
"density": 8.693256763700987,
"density_atomic": 0.07481582614897145,
"volume": 294.0554309484485,
"volume_molar": 8.04928725642735,
"formula_full": "Tb6 Ta2 O14",
"formula_reduced": "Tb3TaO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.735363536363636,
"spacegroup": 63
},
{
"id": "jvasp-96074",
"created_at": "2022-09-04T14:36:05.113860Z",
"updated_at": "2022-09-04T14:36:05.113887Z",
"structure_string": "Y6 Al4 Ni12\n1.0\n7.298979 -0.000000 -2.580579\n-3.649490 6.321102 -2.580579\n0.000000 0.000000 7.741737\nY Al Ni\n6 4 12\ndirect\n0.293693 -0.000000 0.293693 Y\n0.706307 -0.000000 0.706307 Y\n0.706307 0.706307 -0.000000 Y\n-0.000000 0.706307 0.706307 Y\n0.293693 0.293693 -0.000000 Y\n-0.000000 0.293693 0.293693 Y\n-0.000000 -0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 -0.000000 Al\n-0.000000 0.500000 -0.000000 Al\n0.333969 0.666985 0.666985 Ni\n0.666985 -0.000000 0.333015 Ni\n0.666985 0.333015 -0.000000 Ni\n-0.000000 0.333015 0.666985 Ni\n0.666031 0.333015 0.333015 Ni\n0.333015 -0.000000 0.666985 Ni\n0.333015 0.333015 0.666031 Ni\n0.333015 0.666031 0.333015 Ni\n0.333015 0.666985 -0.000000 Ni\n0.666985 0.666985 0.333969 Ni\n-0.000000 0.666985 0.333015 Ni\n0.666985 0.333969 0.666985 Ni\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Y",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Y",
"density": 6.2560214958781115,
"density_atomic": 0.0615927159452824,
"volume": 357.18509343774207,
"volume_molar": 9.777358682071979,
"formula_full": "Y6 Al4 Ni12",
"formula_reduced": "Y3(AlNi3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 1.961431486363636,
"spacegroup": 229
}
]
}